ethyl 1-[2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C16H21N5O3S2/c1-2-24-15(23)11-5-7-20(8-6-11)13(22)10-26-16-19-18-14(21(16)17)12-4-3-9-25-12/h3-4,9,11H,2,5-8,10,17H2,1H3